NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1334 8.0093 120.7866 61.0052 39.1805 174.4924 2 T 4.4613 8.2699 115.9134 59.3517 71.0903 171.5482 3 A 4.7104 8.8428 126.3452 50.3653 23.4260 177.0357 4 K 4.3382 8.2840 118.7670 54.9841 33.0648 175.7555 5 P 4.3516 0.0000 0.0000 62.0367 31.8475 176.5719 6 A 4.0416 8.4924 123.4658 52.9205 18.6410 178.3793 7 K 4.2204 8.6762 121.9919 58.9441 32.7129 177.7959 8 T 4.6007 7.3437 107.3390 58.0693 68.4016 170.8097 9 P 4.0917 0.0000 0.0000 64.3053 32.2066 176.3842 10 T 5.2553 8.4207 118.5117 60.9596 68.8713 175.1501 11 S 4.3628 8.3695 122.0257 57.4190 65.1851 172.9832 12 P 4.1935 0.0000 0.0000 65.6604 30.9815 178.9173 13 K 3.9123 7.9446 117.8992 59.5935 32.1748 178.5710 14 E 3.9751 7.8590 118.8926 59.5803 29.3079 179.4421 15 Q 3.9515 8.5047 118.2546 58.7949 28.7029 178.6136 16 A 3.9586 8.1785 121.9679 55.0031 18.2875 179.8346 17 I 3.7235 7.7923 118.4662 64.4555 37.1577 178.8564 18 G 3.6043 8.2275 106.7093 47.6590 0.0000 175.3961 19 L 3.8945 8.2128 123.3683 57.9633 42.0769 179.2460 20 S 4.0384 8.0569 115.0704 61.5957 62.7914 176.9132 21 V 3.6405 8.0690 121.0936 66.1933 31.3566 178.1940 22 T 4.0451 8.2780 115.6443 66.8898 68.3836 176.5945 23 F 4.1499 8.9775 120.0657 60.7245 38.8649 177.8315 24 L 4.1597 8.4756 118.9422 57.7133 41.1851 179.6633 25 S 4.1725 8.2996 113.4250 60.8966 61.9444 176.1039 26 F 4.2648 8.0669 120.6367 59.9673 39.1145 178.0415 27 L 4.3178 8.2744 118.6461 57.4990 41.3874 179.4769 28 L 4.0441 8.2673 119.1678 57.3671 41.6548 177.6131 29 P 4.2941 0.0000 0.0000 65.6682 31.2935 178.5402 30 A 4.2014 7.6317 116.8179 55.2033 18.2340 179.8595 31 G 3.6625 8.4326 104.3550 47.6014 0.0000 175.6489 32 W 4.2222 8.7842 131.1602 60.3617 30.5948 178.2181 33 V 3.8014 8.0417 116.6921 66.2312 31.2042 177.6458 34 L 4.1530 8.3964 119.0119 57.8359 41.1729 178.9654 35 Y 3.9448 8.0711 119.0350 60.7122 39.1222 176.7834 36 H 4.1017 7.5881 115.3137 55.5194 28.6782 176.8773 37 L 3.8843 7.0380 124.3703 58.3855 41.5808 179.4050 38 D 4.2992 7.6870 117.7730 57.1887 40.5572 178.3257 39 N 4.3908 7.3843 115.8706 55.5562 38.4367 176.5632 40 Y 4.6314 7.1911 117.0364 60.4459 38.6774 177.1208 41 K 4.2806 7.6848 118.0397 58.2011 32.9830 177.6066 42 K 4.4515 7.1230 122.1979 54.2502 32.3498 175.9982 43 S 4.2551 8.1973 119.4249 58.8139 63.7050 175.3467 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 I 8.01 4.13 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.35 0.91 0.00 0.00 2 T 8.27 4.46 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 3 A 8.84 4.71 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.28 4.34 0.00 1.76 1.75 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.46 7.81 5 P 0.00 4.35 0.00 2.04 1.98 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 6 A 8.49 4.04 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.68 4.22 0.00 1.76 1.88 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.42 7.81 8 T 7.34 4.60 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 9 P 0.00 4.09 0.00 2.05 2.06 0.00 3.64 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.26 0.00 10 T 8.42 5.26 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 11 S 8.37 4.36 0.00 4.04 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 4.19 0.00 2.16 2.14 0.00 3.59 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 13 K 7.94 3.91 0.00 1.77 1.79 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.46 7.81 14 E 7.86 3.98 0.00 2.16 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 15 Q 8.50 3.95 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 16 A 8.18 3.96 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.79 3.72 2.04 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.87 0.91 0.00 0.00 18 G 8.23 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.21 3.89 0.00 1.73 1.65 0.74 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.06 4.04 0.00 4.03 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.07 3.64 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.01 0.00 0.00 22 T 8.28 4.05 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 23 F 8.98 4.15 0.00 3.02 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.48 4.16 0.00 1.95 1.79 0.97 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.30 4.17 0.00 4.04 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 F 8.07 4.26 0.00 3.33 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.27 4.32 0.00 1.84 1.78 1.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.27 4.04 0.00 1.77 1.75 0.95 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.29 0.00 2.17 2.10 0.00 3.80 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.14 0.00 30 A 7.63 4.20 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.43 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 W 8.78 4.22 0.00 3.52 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 8.04 3.80 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.38 0.00 0.00 34 L 8.40 4.15 0.00 2.03 1.75 0.98 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 8.07 3.94 0.00 2.94 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 H 7.59 4.10 0.00 2.26 2.10 0.00 5.89 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.04 3.88 0.00 1.67 1.65 0.92 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 38 D 7.69 4.30 0.00 2.56 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 N 7.38 4.39 0.00 2.32 2.71 0.00 0.00 7.01 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Y 7.19 4.63 0.00 3.05 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 7.68 4.28 0.00 1.71 1.91 0.00 1.62 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.64 7.81 42 K 7.12 4.45 0.00 1.70 1.67 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.40 7.81 43 S 8.20 4.26 0.00 3.98 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00